6X77

Rev1 R518A Ternary Complex with dCTP and Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-22
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	62.258, 73.771, 116.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.890 - 1.640
R-factor	0.1818
Rwork	0.180
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wm1
RMSD bond length	0.015
RMSD bond angle	1.409
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.932
High resolution limit [Å]	1.640	1.640
Rmeas	0.128
Number of reflections	49631	8792
<I/σ(I)>	8.4
Completeness [%]	99.8
Redundancy	4.1
CC(1/2)		0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	15-23% PEG3350 and 200 mM ammonium nitrate